Molecule ID: mol30004

SMILES: COc1cc2c(cc1OC)C(=O)C(F)(CC1CCN(Cc3ccccc3)CC1)C2

InChI: InChI=1S/C24H28FNO3/c1-28-21-12-19-15-24(25,23(27)20(19)13-22(21)29-2)14-17-8-10-26(11-9-17)16-18-6-4-3-5-7-18/h3-7,12-13,17H,8-11,14-16H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.99 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization